{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.686354 -8.7516281 2.0653883 ] [ -1.5546707 -4.6754067 6.7279642 ] [ 2.8004413 5.3689174 6.0952848 ] [ 3.2008898 0.1866643 6.5089173 ] [ -1.0219632 8.0555573 -11.440083 ] [ -5.0637276 -0.4249325 1.2546374 ] [ -3.0473237 0.2408284 -11.2121091 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.508366815592563e-09 -1.402165393575632e-08 3.309116847133856e-09 ] [ -2.49085704858277e-09 -7.49082730747168e-09 1.077938694681937e-08 ] [ 4.486801578782759e-09 8.601953937286323e-09 9.765722803677603e-09 ] [ 5.128390803317189e-09 2.990691773979975e-10 1.042843512478066e-08 ] [ -1.637365546357955e-09 1.290642557357477e-08 -1.832903352261153e-08 ] [ -8.112985974819694e-09 -6.80816916918096e-10 2.010150709861298e-09 ] [ -4.882350788149753e-09 3.858496321046707e-10 -1.796377906987893e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.911137 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.029898157414585e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.982729 1.0645239 2.0213872 ] [ 1.7410556 2.2094671 3.9501877 ] [ 2.8774864 3.609325 2.314322 ] [ 5.0328772 2.5907607 1.8204081 ] [ 4.2468956 2.6541531 4.2599006 ] [ 3.1940898 0.325739 4.4672867 ] [ 5.2285503 0.5613959 3.1510177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.982729e-10 1.0645239e-10 2.0213872e-10 ] [ 1.7410556e-10 2.2094671e-10 3.9501877e-10 ] [ 2.8774864e-10 3.609325e-10 2.314322e-10 ] [ 5.0328772e-10 2.5907607e-10 1.8204081e-10 ] [ 4.2468956e-10 2.6541531e-10 4.2599006e-10 ] [ 3.1940898e-10 3.25739e-11 4.4672867e-10 ] [ 5.228550300000001e-10 5.613959e-11 3.1510177e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.44e-05 -2.03e-05 8.5e-06 ] [ 1.7e-06 -7.3e-06 -1.51e-05 ] [ 4e-07 1.62e-05 6.4e-06 ] [ 1.59e-05 1.5e-05 -3.7e-06 ] [ -1.04e-05 -7.9e-06 3.1e-06 ] [ 3.9e-06 1.54e-05 1.3e-05 ] [ 2.9e-06 -1.11e-05 -1.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.307134333952e-14 -3.252418540224e-14 1.36185012768e-14 ] [ 2.72370025536e-15 -1.169588933184e-14 -2.419286697408e-14 ] [ 6.408706483200001e-16 2.595526125696e-14 1.025393037312e-14 ] [ 2.547460827072e-14 2.4032649312e-14 -5.928053496960001e-15 ] [ -1.666263685632e-14 -1.265719530432e-14 4.96674752448e-15 ] [ 6.24848882112e-15 2.467351996032e-14 2.08282960704e-14 ] [ 4.646312200320001e-15 -1.778416049088e-14 -1.954655477376e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }